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Quantum Chemical Molecular Dynamics Simulation of the Plasma Etching Processes

✍ Scribed by Sasata, Katsumi; Yokosuka, Toshiyuki; Kurokawa, Hitoshi; Takami, Seiichi; Kubo, Momoji; Imamura, Akira; Shinmura, Tadashi; Kanoh, Masaaki; Selvam, Parasuraman; Miyamoto, Akira


Book ID
111952247
Publisher
Institute of Pure and Applied Physics
Year
2003
Tongue
English
Weight
273 KB
Volume
42
Category
Article
ISSN
0021-4922

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πŸ“œ SIMILAR VOLUMES


Quantum-chemical approach to the element
✍ Dieter K. Fricke; Hans MΓΌller; Ch. Opitz πŸ“‚ Article πŸ“… 1983 πŸ› Elsevier Science 🌐 English βš– 311 KB

We derive for the fast time a mechanism of reactive plasma etch-mg in the system Si/F by the quantum-chemical approach. Sii-'+ic species at the surface play an important role. Sil'3 surface compleses also occur. The final etching braduct Siiy4 is formed with high probability in the gas phase.

Conformational properties of penicillins
✍ Natalia DΓ­az; Dimas SuΓ‘rez; TomΓ‘s L. Sordo πŸ“‚ Article πŸ“… 2003 πŸ› John Wiley and Sons 🌐 English βš– 318 KB

## Abstract Herein, we present theoretical results on the conformational properties of benzylpenicillin, which are characterized by means of quantum chemical calculations (MP2/6‐31G\* and B3LYP/6‐31G\*) and classical molecular dynamics simulations (5 ns) both in the gas phase and in aqueous solutio